Crystallography Open Database

Information card for entry 7002461

Preview

Coordinates	7002461.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C132 H170 N4 O11 Ti2
Calculated formula	C132 H170 N4 O11 Ti2
Title of publication	Synthesis and structures of complexes with axially chiral isoquinolinyl-naphtholate ligands
Authors of publication	Howard, Ruth H.; Alonso-Moreno, Carlos; Broomfield, Lewis M.; Hughes, David L.; Wright, Joseph A.; Bochmann, Manfred
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	40
Pages of publication	8667 - 8682
a	13.7337 ± 0.0004 Å
b	16.2802 ± 0.0005 Å
c	42.854 ± 0.0014 Å
α	96.227 ± 0.001°
β	91.659 ± 0.001°
γ	107.015 ± 0.001°
Cell volume	9089.6 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.1684
Residual factor for significantly intense reflections	0.0941
Weighted residual factors for significantly intense reflections	0.1676
Weighted residual factors for all reflections included in the refinement	0.2021
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
179724 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/24.	7002461.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002461.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002461.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002461.cif