Crystallography Open Database

Information card for entry 4106904

Preview

Coordinates	4106904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H48 N4 O4 Pt2
Calculated formula	C42 H48 N4 O4 Pt2
SMILES	[Pt]123Oc4ccccc4C=[N]2CCCCCCC[N]2[Pt]4(Oc5ccccc5C=2)Oc2ccccc2C=[N]4CCCCCCC[N]3=Cc2c(O1)cccc2
Title of publication	Ultrasound-Induced Emission Enhancement Based on Structure-Dependent Homo- and Heterochiral Aggregations of Chiral Binuclear Platinum Complexes
Authors of publication	Naruyoshi Komiya; Takako Muraoka; Masayuki Iida; Maiko Miyanaga; Koichi Takahashi; Takeshi Naota
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	16054 - 16061
a	9.796 ± 0.003 Å
b	19.219 ± 0.006 Å
c	20.06 ± 0.006 Å
α	90°
β	99.104 ± 0.008°
γ	90°
Cell volume	3729 ± 2 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.2478
Goodness-of-fit parameter for all reflections included in the refinement	1.227
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178815 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/69.	4106904.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106904.cif
54418	2012-04-26	cif/ Adding structures of 4106904 via cif-deposit CGI script.	4106904.cif