Crystallography Open Database

Information card for entry 4086043

Preview

Coordinates	4086043.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H22 Mo N2 O4
Calculated formula	C15 H22 Mo N2 O4
SMILES	C(#[O])[Mo]1(C#[O])([N]2(C[N]31CCCCC3)CCCCC2)(C#[O])C#[O]
Title of publication	Syntheses and Structures of [CH2(NCnH2n)2]Mo(CO)4(n= 4,5) Complexes with Bis(cycloamine) Ligands Easily Prepared from CH2Cl2
Authors of publication	Kyran, Samuel J.; Sanchez, Sergio G.; Arp, Christopher J.; Darensbourg, Donald J.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	14
Pages of publication	3598
a	13.267 ± 0.006 Å
b	16.237 ± 0.008 Å
c	7.83 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1686.7 ± 1.4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0711
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1262
Weighted residual factors for all reflections included in the refinement	0.1385
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4086043.cif
154760	2015-09-06	cif/ Updating files of 4086043, 4086044 Original log message: Adding full bibliography for 4086043--4086044.cif.	4086043.cif
141537	2015-07-10	cif/ Adding structures of 4086043, 4086044 via cif-deposit CGI script.	4086043.cif