Crystallography Open Database

Information card for entry 4332299

Preview

Coordinates	4332299.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H46 Mn Mo2 N4 O5 S6
Calculated formula	C32 H44 Mn Mo2 N4 O5 S6
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	12.1321 ± 0.0005 Å
b	19.3126 ± 0.0007 Å
c	17.2368 ± 0.0006 Å
α	90°
β	96.308 ± 0.001°
γ	90°
Cell volume	4014.2 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0541
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.0938
Weighted residual factors for all reflections included in the refinement	0.0973
Goodness-of-fit parameter for all reflections included in the refinement	1.322
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.	4332299.cif
98215	2014-01-29	cif/ Adding structures of 4332299 via cif-deposit CGI script.	4332299.cif