Crystallography Open Database

Information card for entry 4324078

Preview

Coordinates	4324078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H71 Cl2 N3 O Ti
Calculated formula	C59 H71 Cl2 N3 O 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	11.2356 ± 0.0008 Å
b	12.859 ± 0.0009 Å
c	18.0523 ± 0.0013 Å
α	88.233 ± 0.001°
β	82.722 ± 0.001°
γ	82.574 ± 0.001°
Cell volume	2565.2 ± 0.3 Å³
Cell temperature	185 ± 2 K
Ambient diffraction temperature	185 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0712
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.146
Weighted residual factors for all reflections included in the refinement	0.1582
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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.	4324078.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324078.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4324078.cif
24369	2011-08-23	../uploads/cif-deposit/cod/cif Adding structures of 4324078 via cif-deposit CGI script.	4324078.cif