Crystallography Open Database

Information card for entry 7006421

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Coordinates	7006421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H68 Au2 Cl2 P2
Calculated formula	C46 H68 Au2 Cl2 P2
SMILES	[Au]([P](=C1C(=[P]([Au]Cl)c2c(cc(cc2C(C)(C)C)C(C)(C)C)C(C)(C)C)C(=C1C1CC1)C1CC1)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)Cl
Title of publication	Structural and coordination properties of 1,2-bis(cyclopropyl)-3,4-bis(2,4,6-tri-tert-butylphenyl)-3,4-diphosphinidenecyclobutene prepared by dehydrogenative homocoupling of 3-cyclopropyl-1-(2,4,6-tri-tert-butylphenyl)-1-phosphaallene.
Authors of publication	Ito, Shigekazu; Freytag, Matthias; Yoshifuji, Masaaki
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	5
Pages of publication	710 - 713
a	19.4009 ± 0.0005 Å
b	15.0454 ± 0.0004 Å
c	15.8448 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4625 ± 0.3 Å³
Cell temperature	133 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for all reflections included in the refinement	0.038
Goodness-of-fit parameter for all reflections included in the refinement	0.789
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
295947 (current)	2024-11-16	Replaced the '\/Y' character sequence with the backslash character ('\') in multiple data values.	7006421.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7006421.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006421.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006421.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006421.cif