Crystallography Open Database

Information card for entry 4337008

Preview

Coordinates	4337008.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H96 Co2 P4 Sm
Calculated formula	C58 H96 Co2 P4 Sm
SMILES	[c]12([c]3([c]4([c]5([c]1(C)[Sm]167892345([c]2([c]1([c]6([c]7([c]82C)C)C)C)CCC)[P]12[Co]34567([c]8([cH]3[c]4([c]5([cH]68)C(C)(C)C)C(C)(C)C)C(C)(C)C)P1[Co]13456([c]8([cH]3[c]4([c]5([cH]68)C(C)(C)C)C(C)(C)C)C(C)(C)C)[P]92P71)C)C)C)CCC
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	13.0764 ± 0.0014 Å
b	14.532 ± 0.0014 Å
c	17.9246 ± 0.0019 Å
α	75.202 ± 0.008°
β	84.017 ± 0.009°
γ	63.168 ± 0.007°
Cell volume	2938.4 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1485
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.1396
Weighted residual factors for all reflections included in the refinement	0.1746
Goodness-of-fit parameter for all reflections included in the refinement	0.861
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.	4337008.cif
103074	2014-02-25	cif/ Adding structures of 4337008 via cif-deposit CGI script.	4337008.cif