Crystallography Open Database

Information card for entry 4329903

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Coordinates	4329903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H129 Cu3 N11 O37
Calculated formula	C48 H32 Cu3 N2 O13
Title of publication	Novel (3,4,6)-Connected Metal-Organic Framework with High Stability and Gas-Uptake Capability
Authors of publication	Chao Hou; Qing Liu; Jian Fan; Yue Zhao; Peng Wang; Wei-Yin Sun
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	8402 - 8408
a	19.156 ± 0.005 Å
b	19.156 ± 0.005 Å
c	61.292 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	22491 ± 9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	141
Hermann-Mauguin space group symbol	I 41/a m d :2
Hall space group symbol	-I 4bd 2
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1204
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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