Crystallography Open Database

Information card for entry 7705356

Preview

Coordinates	7705356.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H33 Cl Co N3 P2
Calculated formula	C40 H33 Cl Co N3 P2
SMILES	[Co]123(Cl)[P](Cc4[n]2c2c(cc4)ccc4ccc([n]3c24)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.N#CC
Title of publication	Co(I) complexes with a tetradentate phenanthroline-based PNNP ligand as a potent new metal-ligand cooperation platform.
Authors of publication	Jheng, Nai-Yuan; Ishizaka, Yusuke; Naganawa, Yuki; Sekiguchi, Akira; Nakajima, Yumiko
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	41
Pages of publication	14592 - 14597
a	10.996 ± 0.005 Å
b	12.777 ± 0.005 Å
c	13.167 ± 0.005 Å
α	80.538 ± 0.005°
β	72.079 ± 0.005°
γ	71.39 ± 0.005°
Cell volume	1663.6 ± 1.2 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 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	0.1191
Residual factor for significantly intense reflections	0.0954
Weighted residual factors for significantly intense reflections	0.2659
Weighted residual factors for all reflections included in the refinement	0.2808
Goodness-of-fit parameter for all reflections included in the refinement	1.142
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
258800 (current)	2020-11-06	cif/ Updating files of 7705356, 7705357, 7705358, 7705359 Original log message: Adding full bibliography for 7705356--7705359.cif.	7705356.cif
255911	2020-09-05	cif/ Adding structures of 7705356, 7705357, 7705358, 7705359 via cif-deposit CGI script.	7705356.cif