Crystallography Open Database

Information card for entry 7026678

Preview

Coordinates	7026678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H68 Br2 Li N3 O2 Zn
Calculated formula	C39 H68 Br2 Li N3 O2 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	9.3323 ± 0.0019 Å
b	14.519 ± 0.003 Å
c	18.076 ± 0.004 Å
α	66.4 ± 0.03°
β	85.15 ± 0.03°
γ	75.77 ± 0.03°
Cell volume	2175.2 ± 1 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 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	0.0623
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1059
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
179972 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/66.	7026678.cif
93562	2014-01-13	cif/ Adding structures of 7026673, 7026674, 7026675, 7026676, 7026677, 7026678, 7026679, 7026680 via cif-deposit CGI script.	7026678.cif