Crystallography Open Database

Information card for entry 4328979

Preview

Coordinates	4328979.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H88 As4 Cl4 I2 O16 Pt
Calculated formula	C54 H88 As4 Cl4 I2 O16 Pt
SMILES	C(=O)(OC(C)(C)C)C1=C([As](C)C(=C([As]1([Pt](I)(I)[As]1(C)C(=C([As](C)C(=C1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C.C(Cl)Cl.C(Cl)Cl
Title of publication	Organic Vapor Triggered Repeatable On-Off Crystalline-State Luminescence Switching
Authors of publication	Kensuke Naka; Takuji Kato; Seiji Watase; Kimihiro Matsukawa
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	4420 - 4422
a	10.6133 ± 0.0004 Å
b	13.4145 ± 0.0006 Å
c	14.3814 ± 0.0005 Å
α	69.0746 ± 0.0012°
β	68.95 ± 0.0011°
γ	88.8248 ± 0.0013°
Cell volume	1771.15 ± 0.12 Å³
Cell temperature	296.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
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.	4328979.cif
78019	2013-04-01	cif/ Adding structures of 4328979 via cif-deposit CGI script.	4328979.cif