Crystallography Open Database

Information card for entry 7017456

Preview

Coordinates	7017456.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H55.5 Cl4 Mn2 N11.5 O20.5
Calculated formula	C59 H54.5 Cl4 Mn2 N11.5 O20.5
Title of publication	Metallo-macrocycles with labile coordination sites through self assembly: Binuclear phenyl bridged bisbipyridine manganese complexes.
Authors of publication	Sham, Kiu-Chor; Zheng, Guoli; Li, Yinyan; Yiu, Shek-Man; Kwong, Hoi-Lun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	45
Pages of publication	12060 - 12062
a	31.027 ± 0.0007 Å
b	14.2965 ± 0.0002 Å
c	34.6803 ± 0.0012 Å
α	90°
β	115.676 ± 0.003°
γ	90°
Cell volume	13864.4 ± 0.7 Å³
Cell temperature	113.15 K
Ambient diffraction temperature	113.15 K
Number of distinct elements	6
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	0.0966
Residual factor for significantly intense reflections	0.0797
Weighted residual factors for significantly intense reflections	0.2443
Weighted residual factors for all reflections included in the refinement	0.2661
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7017456.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7017456.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7017456.cif
31349	2011-12-13	../uploads/cif-deposit/cod/cif Adding structures of 7017455, 7017456 via cif-deposit CGI script.	7017456.cif