Crystallography Open Database

Information card for entry 1529310

Preview

Coordinates	1529310.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2-2, 18-18-doubly Pt(II)-bridged Ni(II) diporphyrin
Formula	C147.31 H169.64 Cl21.9 N8 Ni2 Pt2
Calculated formula	C147.31 H169.635 Cl21.9 N8 Ni2 Pt2
Title of publication	Singly and doubly β-to-β platinum-bridged porphyrin dimers and their reductive eliminations
Authors of publication	Jiang, Hua-Wei; Tanaka, Takayuki; Osuka, Atsuhiro
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	11
Pages of publication	6102
a	19.4832 ± 0.001 Å
b	20.2466 ± 0.0016 Å
c	21.267 ± 0.003 Å
α	86.76 ± 0.02°
β	81.4 ± 0.02°
γ	67.434 ± 0.011°
Cell volume	7659.8 ± 1.5 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	0.0701
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1561
Weighted residual factors for all reflections included in the refinement	0.157
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	1529310.cif
170988	2015-12-09	cif/ Updating files of 1529308, 1529309, 1529310, 1529311, 1529312 Original log message: Adding full bibliography for 1529308--1529312.cif.	1529310.cif
152644	2015-07-31	cif/ Adding structures of 1529308, 1529309, 1529310, 1529311, 1529312 via cif-deposit CGI script.	1529310.cif