Crystallography Open Database

Information card for entry 7023990

Preview

Coordinates	7023990.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H105 I3 P6 Pt3
Calculated formula	C66 H105 I3 P6 Pt3
SMILES	c1c(c2ccc(C#C[Pt]([P](CC)(CC)CC)(I)[P](CC)(CC)CC)cc2)cc(cc1c1ccc(C#C[Pt](I)([P](CC)(CC)CC)[P](CC)(CC)CC)cc1)c1ccc(C#C[Pt](I)([P](CC)(CC)CC)[P](CC)(CC)CC)cc1
Title of publication	Pt(II)6 nanoscopic cages with an organometallic backbone as sensors for picric acid.
Authors of publication	Samanta, Dipak; Mukherjee, Partha Sarathi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	48
Pages of publication	16784 - 16795
a	18.798 ± 0.004 Å
b	18.798 ± 0.004 Å
c	40.774 ± 0.008 Å
α	90°
β	90°
γ	120°
Cell volume	12478 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0608
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1069
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
179944 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/39.	7023990.cif
91613	2013-12-13	cif/ Adding structures of 7023990 via cif-deposit CGI script.	7023990.cif