Crystallography Open Database

Information card for entry 4340279

Preview

Coordinates	4340279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H129 Mn12 N6 O47 P7
Calculated formula	C114 H129 Mn12 N6 O47 P7
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	16.47 ± 0.005 Å
b	48.28 ± 0.014 Å
c	20.509 ± 0.006 Å
α	90°
β	105.962 ± 0.007°
γ	90°
Cell volume	15679 ± 8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0873
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1255
Weighted residual factors for all reflections included in the refinement	0.1324
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
179505 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/02.	4340279.cif
118716	2014-06-30	cif/ Adding structures of 4340279 via cif-deposit CGI script.	4340279.cif