Crystallography Open Database

Information card for entry 4332297

Preview

Coordinates	4332297.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56.5 H84.75 Mn2 Mo4 N8.25 O9 S6
Calculated formula	C53 H72 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	27.56 ± 0.005 Å
b	27.56 ± 0.005 Å
c	10.5496 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	8013 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.0737
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.1055
Weighted residual factors for all reflections included in the refinement	0.1147
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
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.	4332297.cif
98213	2014-01-29	cif/ Adding structures of 4332297 via cif-deposit CGI script.	4332297.cif