Crystallography Open Database

Information card for entry 7114475

Preview

Coordinates	7114475.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H41 Co O3 P2
Calculated formula	C47 H41 Co O3 P2
SMILES	[Co]1234567([cH]8[cH]1[cH]2[cH]3[cH]48)[C]1(P(=O)(c2ccccc2)c2ccccc2)=[C]5([C]6(P(=O)(c2ccccc2)c2ccccc2)=[C]71c1ccccc1)c1ccccc1.OCC
Title of publication	(??5-Cyclopentadienyl)(??4-di- and tetra-phosphorylcyclobutadiene)cobalt(i): Synthesis, structure, and formation of 1-D coordination polymerElectronic supplementary information available: Synthetic procedure, physical data, and crystallographic data. See http://www.rsc.org/suppdata/cc/b2/b204779a/
Authors of publication	Sasaki, Shigeru; Tanabe, Yoshihiro; Yoshifuji, Masaaki
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	17
Pages of publication	1876
a	12.41 ± 0.02 Å
b	16.793 ± 0.004 Å
c	9.731 ± 0.002 Å
α	105.17 ± 0.02°
β	97.21 ± 0.01°
γ	97.7 ± 0.04°
Cell volume	1912 ± 3 Å³
Cell temperature	120.2 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 significantly intense reflections	0.044
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.748
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7114475.cif
116803	2014-06-14	cif/ Adding structures of 7114475, 7114476 via cif-deposit CGI script.	7114475.cif