Crystallography Open Database

Information card for entry 4331917

4331916 << 4331917 >> 4331918

Preview

Coordinates	4331917.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H48 Cl6 N4 Nd2 O11 Zn2
Calculated formula	C47 H48 Cl6 N4 Nd2 O11 Zn2
SMILES	[Nd]1234([O]5[Zn]67(Cl)[O]3c3c([O]2C)cccc3C=[N]7c2ccccc2[N]6=Cc2cccc([O]4C)c25)([Cl][Nd]234([O]5[Zn]67(Cl)[O]3c3c([O]2C)cccc3C=[N]7c2ccccc2[N]6=Cc2cccc([O]4C)c25)([Cl]1)(Cl)[OH]C)(Cl)[OH]C.OC
Title of publication	Multinuclear Luminescent Schiff-Base Zn−Nd Sandwich Complexes
Authors of publication	Wong, Wai-Kwok; Yang, Xiaoping; Jones, Richard A.; Rivers, Joseph H.; Lynch, Vince; Lo, Wing-Kit; Xiao, Dang; Oye, Michael M.; Holmes, Archie L.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	11
Pages of publication	4340 - 4345
a	13.516 ± 0.003 Å
b	14.284 ± 0.003 Å
c	14.358 ± 0.003 Å
α	82.55 ± 0.03°
β	76.2 ± 0.03°
γ	72.59 ± 0.03°
Cell volume	2563.6 ± 1.1 Å³
Cell temperature	153 ± 1 K
Ambient diffraction temperature	153 ± 1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1049
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.1084
Weighted residual factors for all reflections included in the refinement	0.1277
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
179422 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/19.	4331917.cif
97974	2014-01-29	cif/ Adding structures of 4331917 via cif-deposit CGI script.	4331917.cif