Crystallography Open Database

Information card for entry 1519141

1519140 << 1519141 >> 1519142

Preview

Coordinates	1519141.cif

Structure parameters

Formula	C22 H50 Mn N2 P2 Te2
Calculated formula	C22 H50 Mn N2 P2 Te2
SMILES	[Mn]12([Te]P(=[N]1C(C)C)(C(C)(C)C)C(C)(C)C)[Te]P(=[N]2C(C)C)(C(C)(C)C)C(C)(C)C
Title of publication	C22H50MnN2P2Te2
Authors of publication	Bochmann, Manfred; Coles, Simon J.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	1994
Pages of publication	1197
a	16.209 ± 0.012 Å
b	11.871 ± 0.012 Å
c	15.901 ± 0.007 Å
α	90°
β	90.04 ± 0.02°
γ	90°
Cell volume	3060 ± 4 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1211
Residual factor for significantly intense reflections	0.0883
Weighted residual factors for significantly intense reflections	0.2428
Weighted residual factors for all reflections included in the refinement	0.2586
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519141.cif
135453	2015-04-30	cif/ Adding structures of 1519141 via cif-deposit CGI script.	1519141.cif