Crystallography Open Database

Information card for entry 7110316

Preview

Coordinates	7110316.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	03049
Formula	C46.5 H42 O2 P2 Pd
Calculated formula	C46.5 H42 O2 P2 Pd
Title of publication	Mixed metal bis(�-oxo) complexes with [CuM(�-O)2]n+ (M = Ni(iii) or Pd(ii)) coresElectronic supplementary information (ESI) available: experimental and calculation details. See http://www.rsc.org/suppdata/cc/b4/b404640d/
Authors of publication	Aboelella, Nermeen W.; York, John T.; Reynolds, Anne M.; Fujita, Koyu; Kinsinger, Christopher R.; Cramer, Christopher J.; Riordan, Charles G.; Tolman, William B.
Journal of publication	Chemical Communications
Year of publication	2004
Journal issue	15
Pages of publication	1716 - 1717
a	9.2639 ± 0.0014 Å
b	23.168 ± 0.004 Å
c	18.26 ± 0.003 Å
α	90°
β	92.962 ± 0.003°
γ	90°
Cell volume	3913.8 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0626
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7110316.cif
94358	2014-01-23	cif/ Adding structures of 7110316 via cif-deposit CGI script.	7110316.cif