Crystallography Open Database

Information card for entry 7002459

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Structure parameters

Formula	C32 H35 N O3 Pd
Calculated formula	C32 H35 N O3 Pd
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	11.2647 ± 0.0013 Å
b	26.934 ± 0.003 Å
c	11.8122 ± 0.0014 Å
α	90°
β	112.275 ± 0.011°
γ	90°
Cell volume	3316.4 ± 0.7 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 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	0.2249
Residual factor for significantly intense reflections	0.0832
Weighted residual factors for significantly intense reflections	0.1538
Weighted residual factors for all reflections included in the refinement	0.1884
Goodness-of-fit parameter for all reflections included in the refinement	0.93
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
301846 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure.	7002459.cif
179724	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.	7002459.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002459.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002459.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002459.cif