Crystallography Open Database

Information card for entry 4331533

Preview

Coordinates	4331533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C168 H240 Mn24 N12 O97 P14
Calculated formula	C168 H240 Mn24 N12 O97 P14
Title of publication	Dodecanuclear Manganese(III) Phosphonates with Cage Structures
Authors of publication	Yao, Hong-Chang; Li, Yi-Zhi; Song, You; Ma, Yun-Sheng; Zheng, Li-Min; Xin, Xin-Quan
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	1
Pages of publication	59 - 65
a	35.253 ± 0.017 Å
b	21.825 ± 0.011 Å
c	22.101 ± 0.011 Å
α	90°
β	120.168 ± 0.011°
γ	90°
Cell volume	14701 ± 13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0871
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.1244
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
179418 (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 4/33/15.	4331533.cif
132273	2015-02-22	cif/4/33/ (antanas@koala.ibt.lt) Updating bibliography for CIF 4331533.	4331533.cif
97689	2014-01-29	cif/ Adding structures of 4331533 via cif-deposit CGI script.	4331533.cif