cMOF Evidence Base
Diffraction Structure — Microenvironment modulation in heterometallic MOFs for tailoring electron/proton transport and hydrophilicity toward photocatalytic hydrogen production

Measurement evidence

Diffraction Structure

Microenvironment modulation in heterometallic MOFs for tailoring electron/proton transport and hydrophilicity toward photocatalytic hydrogen production · Lin Z., Lin J., Yu S.-W. et al. · Inorganic Chemistry Communications · 2026 · 116638

3 measurement groups · 35 results

Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.

checkCIF/PLATON

Ni-Ca dark brown crystals / powder · Powder

Measurement source
1 · Datablock ni-ca
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
checkCIF level A alert count0——Text
Exact Reported		3 · checkCIF summary
checkCIF level B alert count1——Text
Exact Reported		3 · checkCIF summary
checkCIF level C alert count14——Text
Exact Reported		3 · checkCIF summary
checkCIF level G alert count21——Text
Exact Reported		3 · checkCIF summary
checkCIF data completeness0.991——Text
Exact Reported		2 · checkCIF summary
duplicate check resultNo duplication found——Text
Exact Reported		3 · duplicate check

powder X-ray diffraction

X-ray diffraction and scattering

Ni-Ca dark brown crystals / powder · Powder

Measurement source
2 · 2.3 Characterizations
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
acid/base PXRD stability rangePXRD after immersion in solution with pH 4-12 for one week——Caption
Qualitative		Figure S2 caption · Fig. S2
Ni-Sr phase relation to Ni-Canearly identical crystal structure by PXRD patterns——Text
Exact Reported		3 · Results

single-crystal X-ray diffraction

X-ray diffraction and scattering

Ni-Ca dark brown crystals / powder · Powder

Measurement source
31
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
unit cell a8.498 A——Text
Exact Reported		31
unit cell alpha89.503 deg——Text
Exact Reported		31
unit cell b9.977 A——Text
Exact Reported		31
unit cell beta83.417 deg——Text
Exact Reported		31
unit cell c15.248 A——Text
Exact Reported		31
Ca-O-Ca angle range97.95-106.25 deg——Text
Exact Reported		2 · Results
Ca-O bond-length range2.27-2.57 A——Text
Exact Reported		2 · Results
CCDC deposition number2512008——Text
Exact Reported		31
calculated density1.821 g cm-3——Text
Exact Reported		31
unit cell gamma77.972 deg——Text
Exact Reported		31
GOF on F21.041——Text
Exact Reported		31
independent reflections5682——Text
Exact Reported		31
absorption coefficient1.753 mm-1——Text
Exact Reported		31
Ni-N bond-length range2.03-2.06 A——Text
Exact Reported		2 · Results
Ni-S bond-length range2.49-2.53 A——Text
Exact Reported		2 · Results
O-H...S hydrogen-bond D-A distanceO10-H10A...S2 3.351(9) A——Text
Exact Reported		36
R1 all data0.0837——Text
Exact Reported		31
R1 for I > 2sigma(I)0.0545——Text
Exact Reported		31
reflections collected13205——Text
Exact Reported		31
Rint0.0368——Text
Exact Reported		31
shortest listed hydrogen-bond D-A distanceO8-H8B...O6 D-A 2.605(8) A——Text
Exact Reported		36
space groupP-1——Text
Exact Reported		31
data collection/refinement temperature293(2) K——Text
Exact Reported		31
unit cell volume1255.8 A3——Text
Exact Reported		31
wR2 all data0.2449——Text
Exact Reported		31
wR2 for I > 2sigma(I)0.1609——Text
Exact Reported		31
Z1——Text
Exact Reported		31