Crystallography Open Database

Information card for entry 4086044

Preview

Coordinates	4086044.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H17 Mo N2 O4
Calculated formula	C13 H18 Mo N2 O4
SMILES	[Mo]1([N]2(CCCC2)C[N]21CCCC2)(C#[O])(C#[O])(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	31.66 ± 0.03 Å
b	7.654 ± 0.007 Å
c	12.359 ± 0.011 Å
α	90°
β	94.826 ± 0.011°
γ	90°
Cell volume	2984 ± 5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0425
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0682
Weighted residual factors for all reflections included in the refinement	0.0715
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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.	4086044.cif
154760	2015-09-06	cif/ Updating files of 4086043, 4086044 Original log message: Adding full bibliography for 4086043--4086044.cif.	4086044.cif
141537	2015-07-10	cif/ Adding structures of 4086043, 4086044 via cif-deposit CGI script.	4086044.cif