Crystallography Open Database

Information card for entry 4078079

Preview

Coordinates	4078079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C117 H164 Cl6 N6 O4 Zr3
Calculated formula	C117 H164 Cl6 N6 O4 Zr3
Title of publication	Synthesis and Structural Diversity of Group 4 Metal Complexes with Multidentate Tethered Phenoxy-Amidine and Phenoxy-Amidinate Ligands
Authors of publication	Kirillov, Evgeny; Roisnel, Thierry; Carpentier, Jean-François
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	8
Pages of publication	3228
a	32.642 ± 0.002 Å
b	18.8242 ± 0.0011 Å
c	45.503 ± 0.003 Å
α	90°
β	100.933 ± 0.004°
γ	90°
Cell volume	27452 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2309
Residual factor for significantly intense reflections	0.1174
Weighted residual factors for significantly intense reflections	0.2801
Weighted residual factors for all reflections included in the refinement	0.3206
Goodness-of-fit parameter for all reflections included in the refinement	0.936
Diffraction radiation probe	x-ray
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
178669 (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 4/07/80.	4078079.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078079.cif
57693	2012-05-18	cif/ Adding structures of 4078073, 4078074, 4078075, 4078076, 4078077, 4078078, 4078079, 4078080, 4078081, 4078082 via cif-deposit CGI script.	4078079.cif