Crystallography Open Database

Information card for entry 4328635

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Coordinates	4328635.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 Cl2 Cu2 P2
Calculated formula	C36 H30 Cl2 Cu2 P2
Title of publication	Copper Ion Mediated Selective Cleavage of C-S Bond in Ferrocenylthiosemicarbazone Forming Mixed Geometrical [(PPh3)Cu(μ-S)2Cu(PPh3)2] Having Cu2S2Core: Toward a New Avenue in Copper-Sulfur Chemistry
Authors of publication	Rathinasabapathi Prabhakaran; Palaniappan Kalaivani; Somanur V. Renukadevi; Rui Huang; Kittusamy Senthilkumar; Ramasamy Karvembu; Karuppannan Natarajan
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	3525 - 3532
a	17.428 ± 0.004 Å
b	20.418 ± 0.004 Å
c	18.156 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	6461 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.035
Residual factor for significantly intense reflections	0.0237
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.0959
Goodness-of-fit parameter for all reflections included in the refinement	0.762
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
179389 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/86.	4328635.cif
77629	2013-03-29	cif/ Adding structures of 4328635 via cif-deposit CGI script.	4328635.cif