Crystallography Open Database

Information card for entry 7213918

Preview

Coordinates	7213918.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H114 N24 Ni3 O18
Calculated formula	C96 H114 N24 Ni3 O18
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	8.589 ± 0.004 Å
b	17.784 ± 0.009 Å
c	38.729 ± 0.019 Å
α	90°
β	102.629 ± 0.011°
γ	90°
Cell volume	5773 ± 5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.151
Residual factor for significantly intense reflections	0.0693
Weighted residual factors for significantly intense reflections	0.131
Weighted residual factors for all reflections included in the refinement	0.1492
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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.	7213918.cif
105208	2014-03-11	cif/ Adding structures of 7213916, 7213917, 7213918 via cif-deposit CGI script.	7213918.cif