Crystallography Open Database

Information card for entry 7213917

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Coordinates	7213917.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C180 H244 N64 Ni6 O28
Calculated formula	C180 H244 N64 Ni6 O28
Title of publication	Porous coordination polymers based on azamacrocyclic complex: syntheses, solvent-induced reversible crystal-to-crystal transformation and gas sorption properties
Authors of publication	Jiang, Xiang; Li, Zijian; Zhai, Yanyun; Yan, Ge; Xia, Hua; Li, Zhaohao
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	5
Pages of publication	805
a	31.537 ± 0.005 Å
b	20.222 ± 0.005 Å
c	18.93 ± 0.004 Å
α	90°
β	120.102 ± 0.004°
γ	90°
Cell volume	10444 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1797
Residual factor for significantly intense reflections	0.0755
Weighted residual factors for significantly intense reflections	0.1627
Weighted residual factors for all reflections included in the refinement	0.1834
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180470 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/39.	7213917.cif
105208	2014-03-11	cif/ Adding structures of 7213916, 7213917, 7213918 via cif-deposit CGI script.	7213917.cif