Crystallography Open Database

Information card for entry 4339757

Preview

Coordinates	4339757.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H200 Mn22 N2 O98 P8
Calculated formula	C102 H200 Mn22 N2 O98 P8
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	15.4116 ± 0.0011 Å
b	18.245 ± 0.0013 Å
c	20.7028 ± 0.0015 Å
α	89.734 ± 0.001°
β	71.637 ± 0.001°
γ	71.154 ± 0.001°
Cell volume	5198 ± 0.6 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	0.0869
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for significantly intense reflections	0.1157
Weighted residual factors for all reflections included in the refinement	0.1216
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4339757.cif
117522	2014-06-15	cif/ Adding structures of 4339757 via cif-deposit CGI script.	4339757.cif