Crystallography Open Database

Information card for entry 4504941

Preview

Coordinates	4504941.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H50 Cl2 Mn N12 O12
Calculated formula	C42 H50 Cl2 Mn N12 O12
Title of publication	New Inorganic−Organic Hybrid Supramolecular Architectures Generated from 2,5-Bis(3-pyridyl)-3,4-diaza-2,4-hexadiene
Authors of publication	Gao, En-Qing; Cheng, Ai-Ling; Xu, Yan-Xia; Yan, Chun-Hua; He, Ming-Yuan
Journal of publication	Crystal Growth & Design
Year of publication	2005
Journal volume	5
Journal issue	3
Pages of publication	1005
a	8.9231 ± 0.0002 Å
b	11.2023 ± 0.0002 Å
c	12.7643 ± 0.0002 Å
α	101.477 ± 0.0011°
β	97.0069 ± 0.0009°
γ	98.7719 ± 0.0009°
Cell volume	1220.39 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0693
Residual factor for significantly intense reflections	0.0474
Weighted residual factors for significantly intense reflections	0.1241
Weighted residual factors for all reflections included in the refinement	0.1371
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
179584 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/49.	4504941.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504941.cif
50061	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4504941, 4504942 via cif-deposit CGI script.	4504941.cif