Crystallography Open Database

Information card for entry 4337006

Preview

Coordinates	4337006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H88 Co2 P4 Sm
Calculated formula	C54 H88 Co2 P4 Sm
SMILES	[Sm]123456789([P]%10%11[Co]%12%13%14%15%16(P%10[Co]%10%17%18%19%20([P]1%11P%12%10)[c]1([c]%20([cH]%19[c]%18([cH]%171)C(C)(C)C)C(C)(C)C)C(C)(C)C)[cH]1[c]%13([cH]%14[c]%15([c]%161C(C)(C)C)C(C)(C)C)C(C)(C)C)([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)[c]1([c]9([c]8([c]7([c]61C)C)C)C)C
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	13.0834 ± 0.0005 Å
b	14.3533 ± 0.0006 Å
c	19.389 ± 0.0008 Å
α	68.837 ± 0.003°
β	81.074 ± 0.003°
γ	63.807 ± 0.003°
Cell volume	3046.8 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0512
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.045
Weighted residual factors for all reflections included in the refinement	0.0469
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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.	4337006.cif
103072	2014-02-25	cif/ Adding structures of 4337006 via cif-deposit CGI script.	4337006.cif