Crystallography Open Database

Information card for entry 4077804

Preview

Coordinates	4077804.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H57 Cl N4 Si3 Zr
Calculated formula	C24 H57 Cl 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	12.4097 ± 0.0002 Å
b	15.6621 ± 0.0001 Å
c	18.2802 ± 0.0002 Å
α	90°
β	92.74°
γ	90°
Cell volume	3548.91 ± 0.07 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1065
Residual factor for significantly intense reflections	0.0595
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.1112
Goodness-of-fit parameter for all reflections included in the refinement	1.153
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
178667 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/78.	4077804.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077804.cif
57223	2012-05-17	cif/ Adding structures of 4077802, 4077803, 4077804, 4077805 via cif-deposit CGI script.	4077804.cif