Crystallography Open Database

Information card for entry 7111659

Preview

Coordinates	7111659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H68 Cl4 Mn2 N8 O30
Calculated formula	C72 H56 Cl4 Mn2 N8 O30
Title of publication	Conformational and photosensitive adjustment of the 4,4′-bipyridinium in Mn(ii) coordination complexes
Authors of publication	Jin, Xu-Hui; Sun, Jian-Ke; Xu, Xi-Ming; Li, Zhao-Hui; Zhang, Jie
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	26
Pages of publication	4695 - 4697
a	15.82 ± 0.005 Å
b	27.14 ± 0.009 Å
c	23.236 ± 0.006 Å
α	90°
β	129.027 ± 0.015°
γ	90°
Cell volume	7750 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1114
Residual factor for significantly intense reflections	0.0829
Weighted residual factors for significantly intense reflections	0.2345
Weighted residual factors for all reflections included in the refinement	0.2614
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
180230 (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 7/11/16.	7111659.cif
96719	2014-01-29	cif/ Adding structures of 7111658, 7111659 via cif-deposit CGI script.	7111659.cif