Crystallography Open Database

Information card for entry 4089135

Preview

Coordinates	4089135.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H40 Au4 Mo4 N4 O12
Calculated formula	C40 H40 Au4 Mo4 N4 O12
SMILES	C1(=O)[Au]2345C(=O)[Mo]678914(C#[O])([cH]1[c]9([cH]8[cH]7[cH]61)N(C)C)[Au]12[Au]246([Au]783(C(=O)[Mo]39%10%1157(C#[O])([cH]5[cH]3[cH]9[cH]%10[c]%115N(C)C)C#[O])C(=O)[Mo]357968(C#[O])(C#[O])[cH]6[cH]3[cH]5[cH]7[c]96N(C)C)C(=O)[Mo]356714(C2=O)(C#[O])[cH]1[c]7([cH]6[cH]5[cH]31)N(C)C
Title of publication	Hexa- and Octanuclear Heterometallic Clusters with Copper‒, Silver‒, or Gold‒Molybdenum Bonds and d10‒d10Interactions
Authors of publication	Croizat, Pierre; Sculfort, Sabrina; Welter, Richard; Braunstein, Pierre
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	23
Pages of publication	3949
a	11.941 ± 0.002 Å
b	22.609 ± 0.005 Å
c	16.995 ± 0.004 Å
α	90°
β	97.402 ± 0.01°
γ	90°
Cell volume	4550 ± 1.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0786
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0729
Weighted residual factors for all reflections included in the refinement	0.0843
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
238005 (current)	2019-11-24	cif/ Adding structures of 4089133, 4089134, 4089135 via cif-deposit CGI script.	4089135.cif