Crystallography Open Database

Information card for entry 2020777

2020776 << 2020777 >> 2020778

Preview

Coordinates	2020777.cif
Structure factors	2020777.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis(μ-diphenyl phosphato-κ^2^<i>O</i>:<i>O</i>')bis({<i>N</i>,<i>N</i>-bis[(pyridin-2-yl)methyl]quinolin-8-amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>O</i>}cobalt(II)) bis(perchlorate)
Formula	C66 H56 Cl2 Co2 N8 O16 P2
Calculated formula	C66 H56 Cl2 Co2 N8 O16 P2
SMILES	[Co]1234([O]=P(O[Co]567([O]=P(O1)(Oc1ccccc1)Oc1ccccc1)[n]1ccccc1C[N]5(Cc1[n]6cccc1)c1cccc5ccc[n]7c15)(Oc1ccccc1)Oc1ccccc1)[n]1ccccc1C[N]2(Cc1[n]3cccc1)c1cccc2ccc[n]4c12.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	Dinuclear cobalt(II) complexes with double phosphate ester bridges and tetradentate ligands having anisole or quinoline appendages
Authors of publication	Anjana, S. S.; Varghese, Babu; Prasad, Edamana
Journal of publication	Acta Crystallographica Section C
Year of publication	2017
Journal volume	73
Journal issue	6
Pages of publication	492 - 497
a	13.0021 ± 0.0002 Å
b	12.8075 ± 0.0003 Å
c	19.8373 ± 0.0004 Å
α	90°
β	93.008 ± 0.001°
γ	90°
Cell volume	3298.84 ± 0.11 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
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	0.0526
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.1027
Weighted residual factors for all reflections included in the refinement	0.1092
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
199070 (current)	2017-07-25	cif/ hkl/ Adding structures of 2020776, 2020777 via cif-deposit CGI script.	2020777.cif 2020777.hkl