Crystallography Open Database

Information card for entry 4338982

Preview

Coordinates	4338982.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H42 Au2 Cl2 Mo N6 O4 P4
Calculated formula	C46 H42 Au2 Cl2 Mo N6 O4 P4
SMILES	[Au](Cl)[P]12N(C[P]([Mo]([P]34CN([P]([Au]Cl)(N(C3)c3ccccc3)N(C4)c3ccccc3)c3ccccc3)(C#[O])(C#[O])(C#[O])C#[O])(CN1c1ccccc1)CN2c1ccccc1)c1ccccc1
Title of publication	Comparisons of phosphorus ligation properties in P(CH2NR)3P.
Authors of publication	Thirupathi, Natesan; Stricklen, Phillip M.; Liu, Xiaodong; Oshel, Reed; Guzei, Ilia; Ellern, Arkady; Verkade, John G.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	22
Pages of publication	9351 - 9363
a	16.0152 ± 0.0008 Å
b	16.5984 ± 0.0008 Å
c	18.2588 ± 0.0009 Å
α	90°
β	92.0129 ± 0.001°
γ	90°
Cell volume	4850.7 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0522
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0556
Weighted residual factors for all reflections included in the refinement	0.0594
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
179492 (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 4/33/89.	4338982.cif
117040	2014-06-14	cif/ Adding structures of 4338982 via cif-deposit CGI script.	4338982.cif