Crystallography Open Database

Information card for entry 4306771

Preview

Coordinates	4306771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H99 N12 O6 Zn2
Calculated formula	C42 H99 N12 O6 Zn2
Title of publication	Organozinc Aminoalcoholates: Synthesis, Structure, and Materials Chemistry
Authors of publication	Andrew L. Johnson; Nathan Hollingsworth; Gabriele Kociok-Köhn; Kieran C. Molloy
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	12040 - 12048
a	9.7476 ± 0.0002 Å
b	14.3518 ± 0.0003 Å
c	21.6129 ± 0.0006 Å
α	103.02 ± 0.001°
β	90.159 ± 0.001°
γ	101.215 ± 0.002°
Cell volume	2886.13 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1241
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1359
Goodness-of-fit parameter for all reflections included in the refinement	0.955
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
179105 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/67.	4306771.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4306771.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4306771.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4306771.cif