Crystallography Open Database

Information card for entry 7114834

Preview

Coordinates	7114834.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H50 B3 Cl Cu2 F12 Fe2 N12 O
Calculated formula	C48 H48 B3 Cl Cu2 F12 Fe2 N12 O
Title of publication	Self-assembly of a chloro-bridged helical coordination polymer achieved from a ferrocenyl-containing double-helicate
Authors of publication	Chen-jie, Fang; Chun-ying, Duan; Dong, Guo; Cheng, He; Qing-jin, Meng; Zhe-ming, Wang; Chun-hua, Yan
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	24
Pages of publication	2540
a	23.443 ± 0.005 Å
b	24.577 ± 0.005 Å
c	21.329 ± 0.004 Å
α	90°
β	115.8 ± 0.03°
γ	90°
Cell volume	11064 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	9
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	0.1516
Residual factor for significantly intense reflections	0.0704
Weighted residual factors for significantly intense reflections	0.142
Weighted residual factors for all reflections included in the refinement	0.1807
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
180262 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/48.	7114834.cif
118365	2014-06-30	cif/ Adding structures of 7114834 via cif-deposit CGI script.	7114834.cif