Crystallography Open Database

Information card for entry 4514265

Preview

Coordinates	4514265.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H30 Cu6 N0 O36 S3
Calculated formula	C66 H30 Cu6 O36 S3
Title of publication	Development of a Porous Coordination Polymer with a High Gas Capacity Using a Thiophene-Based Bent Tetracarboxylate Ligand.
Authors of publication	Wang, Fei; Kusaka, Shinpei; Hijikata, Yuh; Hosono, Nobuhiko; Kitagawa, Susumu
Journal of publication	ACS applied materials & interfaces
Year of publication	2017
Journal volume	9
Journal issue	39
Pages of publication	33455 - 33460
a	26.2639 ± 0.0005 Å
b	33.4313 ± 0.0006 Å
c	18.7507 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	16463.8 ± 0.5 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
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	0.0565
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1573
Weighted residual factors for all reflections included in the refinement	0.1676
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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