Crystallography Open Database

Information card for entry 4324077

Preview

Coordinates	4324077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H50 N2 O2 Ti
Calculated formula	C40 H50 N2 O2 Ti
Title of publication	New Titanium Complexes with Symmetric or Asymmetric cis-9,10-Dihydrophenanthrenediamide Ligands Formed through Sequential Intramolecular C-C Bond-Forming Reactions
Authors of publication	Dapeng Zhao; Bo Gao; Wei Gao; Xuyang Luo; Duihai Tang; Ying Mu; Ling Ye
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	30 - 36
a	17.169 ± 0.0008 Å
b	21.0622 ± 0.001 Å
c	20.0823 ± 0.001 Å
α	90°
β	98.021 ± 0.001°
γ	90°
Cell volume	7191.1 ± 0.6 Å³
Cell temperature	185 ± 2 K
Ambient diffraction temperature	185 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0898
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.147
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
179343 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/40.	4324077.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324077.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4324077.cif
24368	2011-08-23	../uploads/cif-deposit/cod/cif Adding structures of 4324077 via cif-deposit CGI script.	4324077.cif