Crystallography Open Database

Information card for entry 4337007

Preview

Coordinates	4337007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H102 Co2 P4 Sm
Calculated formula	C60 H102 Co2 P4 Sm
SMILES	[Sm]123456789([P]%10%11[Co]%12%13%14%15%16(P%10[Co]%17%18%19%20%21([P]1%11P%12%17)[c]1([cH]%19[c]%20([c]%21([cH]%181)C(C)(C)C)C(C)(C)C)C(C)(C)C)[c]1([cH]%14[c]%15([c]%16([cH]%131)C(C)(C)C)C(C)(C)C)C(C)(C)C)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)[c]1([c]9([c]8([c]7([c]61C)C)C)C)C.CCCCCC
Title of publication	Intramolecular Phosphorus-Phosphorus Bond Formation within a Co2P4 Core
Authors of publication	Tianshu Li; Nicholas Arleth; Michael T. Gamer; Ralf Köppe; Timo Augenstein; Fabian Dielmann; Manfred Scheer; Sergey N. Konchenko; Peter W. Roesky
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	14231 - 14236
a	10.3372 ± 0.0003 Å
b	17.1314 ± 0.0005 Å
c	34.891 ± 0.0011 Å
α	90°
β	97.782 ± 0.002°
γ	90°
Cell volume	6122 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0607
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0864
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
179473 (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 4/33/70.	4337007.cif
103073	2014-02-25	cif/ Adding structures of 4337007 via cif-deposit CGI script.	4337007.cif