Crystallography Open Database

Information card for entry 7026680

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Structure parameters

Formula	C68.5 H98 N4 Zn
Calculated formula	C68.5 H98 N4 Zn
Title of publication	Bulky guanidinato and amidinato zinc complexes and their comparative stabilities.
Authors of publication	Jones, Cameron; Furness, Leigh; Nembenna, Sharanappa; Rose, Richard P.; Aldridge, Simon; Stasch, Andreas
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	37
Pages of publication	8788 - 8795
a	12.65 ± 0.003 Å
b	12.723 ± 0.003 Å
c	19.058 ± 0.004 Å
α	100.62 ± 0.03°
β	90.59 ± 0.03°
γ	92.15 ± 0.03°
Cell volume	3012.2 ± 1.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.103
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7026680.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7026680.cif
93562	2014-01-13	cif/ Adding structures of 7026673, 7026674, 7026675, 7026676, 7026677, 7026678, 7026679, 7026680 via cif-deposit CGI script.	7026680.cif