Crystallography Open Database

Information card for entry 7212501

Preview

Coordinates	7212501.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H88 N8 Ni2 O6
Calculated formula	C76 H84 N8 Ni2 O6
Title of publication	Homochiral helical coordination polymers of metallosalen complexes with tunable pitches
Authors of publication	Li, Gao; Xi, Xiaobing; Xuan, Weimin; Dong, Taiwei; Cui, Yong
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	8
Pages of publication	2424
a	11.564 ± 0.002 Å
b	18.821 ± 0.004 Å
c	17.117 ± 0.003 Å
α	90°
β	100.68 ± 0.03°
γ	90°
Cell volume	3660.9 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0915
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.1249
Weighted residual factors for all reflections included in the refinement	0.1414
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180456 (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 7/21/25.	7212501.cif
93066	2014-01-12	cif/ Adding structures of 7212499, 7212500, 7212501, 7212502 via cif-deposit CGI script.	7212501.cif