Crystallography Open Database

Information card for entry 4332728

Preview

Coordinates	4332728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H16 Mn3 O12
Calculated formula	C18 H16 Mn3 O12
Title of publication	Lanthanide−Transition Metal Carbonyl Complexes: Condensation of Solvent-Separated Ion-Pair Compounds into Extended Structures
Authors of publication	Poplaukhin, Pavel V.; Chen, Xuenian; Meyers, Edward A.; Shore, Sheldon G.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	25
Pages of publication	10115 - 10125
a	8.8567 ± 0.001 Å
b	16.6528 ± 0.001 Å
c	15.9064 ± 0.001 Å
α	90°
β	94.95 ± 0.01°
γ	90°
Cell volume	2337.3 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
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	0.0504
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0801
Weighted residual factors for all reflections included in the refinement	0.0883
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
179430 (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 4/33/27.	4332728.cif
98509	2014-01-30	cif/ Adding structures of 4332724, 4332725, 4332726, 4332727, 4332728, 4332729 via cif-deposit CGI script.	4332728.cif