Crystallography Open Database

Information card for entry 4339105

Preview

Coordinates	4339105.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H66 Cl4 Fe2 Mn2 N17 O11
Calculated formula	C78 H58 Cl4 Fe2 Mn2 N17 O11
Title of publication	Substituent effect on formation of heterometallic molecular wheels: synthesis, crystal structure, and magnetic properties.
Authors of publication	Ni, Zhong-Hai; Zhang, Li-Fang; Tangoulis, Vassilis; Wernsdorfer, Wolfgang; Cui, Ai-Li; Sato, Osamu; Kou, Hui-Zhong
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	15
Pages of publication	6029 - 6037
a	13.248 ± 0.013 Å
b	18.659 ± 0.018 Å
c	19.04 ± 0.02 Å
α	115.82 ± 0.05°
β	106.82 ± 0.05°
γ	91.45 ± 0.04°
Cell volume	3992 ± 7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0599
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1373
Weighted residual factors for all reflections included in the refinement	0.1415
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179494 (current)	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 4/33/91.	4339105.cif
117141	2014-06-14	cif/ Adding structures of 4339101, 4339102, 4339103, 4339104, 4339105 via cif-deposit CGI script.	4339105.cif