Crystallography Open Database

Information card for entry 4331915

4331914 << 4331915 >> 4331916

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Coordinates	4331915.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H48 N7 Nd O21 Zn2
Calculated formula	C46 H48 N7 Nd O21 Zn2
SMILES	[Nd]12345([O]6[Zn]78([O]1c1c([O]2C)cccc1C=[N]7c1ccccc1[N]8=Cc1cccc(OC)c16)ON(=O)=O)([O]1[Zn]26([N](=Cc7cccc(OC)c17)c1ccccc1[N]6=Cc1cccc([O]5C)c1[O]42)[OH2])([O]=N(=O)O3)[OH2].O=N(=O)[O-].OCC.O
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	14.0805 ± 0.0009 Å
b	13.9988 ± 0.0009 Å
c	26.2151 ± 0.0017 Å
α	90°
β	100.277 ± 0.001°
γ	90°
Cell volume	5084.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.1024
Goodness-of-fit parameter for all reflections included in the refinement	0.978
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.	4331915.cif
97972	2014-01-29	cif/ Adding structures of 4331915 via cif-deposit CGI script.	4331915.cif