Crystallography Open Database

Information card for entry 4332298

Preview

Coordinates	4332298.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H100 Mn2 Mo4 N8 O12 S12
Calculated formula	C60 H76 Mn2 Mo4 N8 O6 S12
Title of publication	Assembly of Heterometallic Clusters and Coordination Polymers by Combining Mo−S-Based Clusters with Mn2+
Authors of publication	Lin, Ping; Clegg, William; Harrington, Ross W.; Henderson, Richard A.; Fletcher, Ashleigh J.; Bell, Jon; Thomas, K. Mark
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	10
Pages of publication	4284 - 4302
a	11.9446 ± 0.0011 Å
b	12.1041 ± 0.0009 Å
c	17.342 ± 0.0018 Å
α	89.331 ± 0.009°
β	84.978 ± 0.011°
γ	63.933 ± 0.008°
Cell volume	2242.6 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0576
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.1137
Weighted residual factors for all reflections included in the refinement	0.1212
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
179425 (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 4/33/22.	4332298.cif
98214	2014-01-29	cif/ Adding structures of 4332298 via cif-deposit CGI script.	4332298.cif