Crystallography Open Database

Information card for entry 4507875

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Coordinates	4507875.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H39 Cu6 N3 O30
Calculated formula	C63 H39 Cu6 N3 O30
Title of publication	High H2and CH4Adsorption Capacity of a Highly Porous (2,3,4)-Connected Metal‒Organic Framework
Authors of publication	Lu, Zhiyong; Du, Liting; Tang, Kuanzhen; Bai, Junfeng
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	6
Pages of publication	2252
a	25.2913 ± 0.0014 Å
b	33.509 ± 0.0016 Å
c	18.681 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	15831.9 ± 1.6 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0609
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.119
Weighted residual factors for all reflections included in the refinement	0.1205
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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