Crystallography Open Database

Information card for entry 4339758

Preview

Coordinates	4339758.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C130 H194 Mn13 N14 O45 P10
Calculated formula	C130 H194 Mn13 N14 O45 P10
Title of publication	Tridecanuclear and docosanuclear manganese phosphonate clusters with slow magnetic relaxation.
Authors of publication	Ma, Yun-Sheng; Song, You; Li, Yi-Zhi; Zheng, Li-Min
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	14
Pages of publication	5459 - 5461
a	15.685 ± 0.003 Å
b	18.024 ± 0.003 Å
c	18.425 ± 0.003 Å
α	64.79 ± 0.003°
β	89.451 ± 0.004°
γ	65.596 ± 0.003°
Cell volume	4203.2 ± 1.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.0715
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1179
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
179500 (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 4/33/97.	4339758.cif
117523	2014-06-15	cif/ Adding structures of 4339758 via cif-deposit CGI script.	4339758.cif