Crystallography Open Database

Information card for entry 4338581

Preview

Coordinates	4338581.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H136 B6 Cu2 Fe6 N54 Na2 O20
Calculated formula	C144 H136 B6 Cu2 Fe6 N54 Na2 O20
Title of publication	A Family of Polynuclear Clusters Containing Cyano-Bridged T-Shaped Fe^III^~3~M^II^ (M = Cu, Co, Mn) Metal Cores: Syntheses, Structures, and Magnetic Properties
Authors of publication	Gu, Zhi-Guo; Xu, Yi-Fan; Kang, Ling-Chen; Li, Yi-Zhi; Zuo, Jing-Lin; You, Xiao-Zeng
Journal of publication	Inorganic chemistry
Year of publication	2009
Journal volume	48
Journal issue	12
Pages of publication	5073 - 5080
a	14.0796 ± 0.0014 Å
b	26.05 ± 0.003 Å
c	27.0395 ± 0.0019 Å
α	90°
β	120.67 ± 0.004°
γ	90°
Cell volume	8530.1 ± 1.5 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	8
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	0.1027
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1462
Weighted residual factors for all reflections included in the refinement	0.1583
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
210033 (current)	2018-08-22	cif/4/ Updating bibliography in entries 4302277-4302282, 4338581-4338586. Marking entries 4302277-4302282 as duplicates of entries 4338581-4338586.	4338581.cif
179488	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/85.	4338581.cif
114759	2014-05-29	cif/ Adding structures of 4338581, 4338582, 4338583, 4338584, 4338585, 4338586 via cif-deposit CGI script.	4338581.cif