Crystallography Open Database

Information card for entry 4079354

Preview

Coordinates	4079354.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	C72 H96 O2 P2 Pt, 0.2(CH2Cl2)
Formula	C72.2 H96.4 Cl0.4 O2 P2 Pt
Calculated formula	C72.2 H96.4 Cl0.4 O2 P2 Pt
Title of publication	Platinum Complexes of Alkynyl-Substituted Dimethyldihydropyrenes
Authors of publication	Zhang, Pengrong; Berg, David J.; Mitchell, Reginald H.; Oliver, Allen; Patrick, Brian
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	23
Pages of publication	8121
a	17.874 ± 0.005 Å
b	9.872 ± 0.003 Å
c	20.461 ± 0.006 Å
α	90°
β	108.991 ± 0.005°
γ	90°
Cell volume	3413.9 ± 1.7 Å³
Cell temperature	89 ± 2 K
Ambient diffraction temperature	89 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0695
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1089
Weighted residual factors for all reflections included in the refinement	0.1176
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	4079354.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079354.cif
72412	2013-01-21	cif/ Adding structures of 4079354 via cif-deposit CGI script.	4079354.cif