Crystallography Open Database

Information card for entry 7228612

Preview

Coordinates	7228612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H57 Mo2 O2 P Sn
Calculated formula	C49 H57 Mo2 O2 P Sn
SMILES	[Mo]1234([Sn](c5ccccc5)(c5ccccc5)c5ccccc5)([P]5([Mo]6789%10%11%12%13%14([c]%155[cH]6[cH]7[cH]8[cH]9%15)[c]5([cH]%10[c]%11([cH]%12[c]%13([cH]%145)C(C)(C)C)C(C)(C)C)C(C)(C)C)C)(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45
Title of publication	Sn‒H bond additions to asymmetric trigonal phosphinidene-bridged dimolybdenum complexes
Authors of publication	Alvarez, M. Angeles; Amor, Inmaculada; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Suárez, Jaime
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	53
Pages of publication	33293
a	13.2651 ± 0.0001 Å
b	22.5628 ± 0.0002 Å
c	14.5925 ± 0.0001 Å
α	90°
β	94.564 ± 0.001°
γ	90°
Cell volume	4353.65 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0394
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0717
Weighted residual factors for all reflections included in the refinement	0.0913
Goodness-of-fit parameter for all reflections included in the refinement	0.915
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
198307 (current)	2017-07-01	cif/ Adding structures of 7228612, 7228613, 7228614 via cif-deposit CGI script.	7228612.cif