Crystallography Open Database

Information card for entry 4341311

Preview

Coordinates	4341311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C170.6 H157.2 N24 Ni4 O6.2 Pd4
Calculated formula	C170.6 H157.2 N24 Ni4 O6.2 Pd4
Title of publication	Heterometallic Pd(II)-Ni(II) Complexes with meso-Substituted Dibenzotetraaza[14]annulene: Double C-H Bond Activation and Formation of a Rectangular Tetradibenzotetraaza[14]annulene.
Authors of publication	Khaledi, Hamid; Olmstead, Marilyn M.; Fukuda, Takamitsu; Mohd Ali, Hapipah
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	21
Pages of publication	11348 - 11350
a	17.0275 ± 0.001 Å
b	17.1072 ± 0.001 Å
c	18.7082 ± 0.0011 Å
α	96.944 ± 0.003°
β	112.56 ± 0.003°
γ	112.738 ± 0.003°
Cell volume	4403.5 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1088
Residual factor for significantly intense reflections	0.0764
Weighted residual factors for significantly intense reflections	0.222
Weighted residual factors for all reflections included in the refinement	0.2546
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.7749 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4341311.cif
126946	2014-11-12	cif/ Updating files of 4341308, 4341309, 4341310, 4341311 Original log message: Adding full bibliography for 4341308--4341311.cif.	4341311.cif
125502	2014-10-17	cif/ Adding structures of 4341308, 4341309, 4341310, 4341311 via cif-deposit CGI script.	4341311.cif