Crystallography Open Database

Information card for entry 4087051

Preview

Coordinates	4087051.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H18 Ge Mo2 O6
Calculated formula	C21 H18 Ge Mo2 O6
SMILES	[Mo]12345([Ge]([c]67[Mo]89%10%11(C#[O])(C#[O])(C#[O])[c]%121[cH]5[cH]4[cH]3[c]2%12C([c]68[cH]%11[cH]%10[cH]79)(C)C)(C)C)(C#[O])(C#[O])C#[O]
Title of publication	Reactions of Doubly Bridged Biscyclopentadienes with Molybdenum (Tungsten) Carbonyl
Authors of publication	Wang, Baiquan; Zhu, Bolin; Xu, Shansheng; Zhou, Xiuzhong
Journal of publication	Organometallics
Year of publication	2003
Journal volume	22
Journal issue	24
Pages of publication	4842 - 4852
a	9.614 ± 0.003 Å
b	10.472 ± 0.004 Å
c	11.189 ± 0.004 Å
α	101.361 ± 0.006°
β	94.495 ± 0.006°
γ	92.575 ± 0.006°
Cell volume	1098.9 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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 all reflections	0.0689
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.0858
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
192132 (current)	2017-02-15	cif/ Adding structures of 4087045, 4087046, 4087047, 4087048, 4087049, 4087050, 4087051, 4087052, 4087053, 4087054, 4087055 via cif-deposit CGI script.	4087051.cif