Crystallography Open Database

Information card for entry 4077805

Preview

Coordinates	4077805.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26.5 H56 N4 Si3 Zr
Calculated formula	C26.5 H56 N4 Si3 Zr
Title of publication	Triamidoamine Chemistry of Zirconium
Authors of publication	Morton, Colin; Munslow, Ian J.; Sanders, Christopher J.; Alcock, Nathaniel W.; Scott, Peter
Journal of publication	Organometallics
Year of publication	1999
Journal volume	18
Journal issue	22
Pages of publication	4608
a	12.8111 ± 0.0002 Å
b	13.2448 ± 0.0002 Å
c	13.2748 ± 0.0002 Å
α	60.326 ± 0.001°
β	67.912 ± 0.001°
γ	86.095 ± 0.001°
Cell volume	1793.84 ± 0.05 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.067
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1225
Weighted residual factors for all reflections included in the refinement	0.1377
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4077805.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077805.cif
57223	2012-05-17	cif/ Adding structures of 4077802, 4077803, 4077804, 4077805 via cif-deposit CGI script.	4077805.cif