Crystallography Open Database

Information card for entry 4080673

Preview

Coordinates	4080673.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27.5 H26 Br Cl N4 Pt
Calculated formula	C27.5 H26 Br Cl N4 Pt
SMILES	[Pt]1(Br)([n]2cccc3c2c2[n]1cccc2cc3)(Cc1ccc(cc1)N=Nc1ccccc1)(C)C.C(Cl)Cl
Title of publication	Photoswitchable Organoplatinum(IV) Complexes
Authors of publication	Moustafa, Mohamed E.; McCready, Matthew S.; Puddephatt, Richard J.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	9
Pages of publication	2552
a	12.434 ± 0.003 Å
b	13.705 ± 0.003 Å
c	15.993 ± 0.003 Å
α	96.95 ± 0.03°
β	107.82 ± 0.03°
γ	95.22 ± 0.03°
Cell volume	2551.8 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0893
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1247
Weighted residual factors for all reflections included in the refinement	0.1614
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4080673.cif
87260	2013-07-14	cif/ Adding structures of 4080672, 4080673, 4080674, 4080675 via cif-deposit CGI script.	4080673.cif