Crystallography Open Database

Information card for entry 4001519

Preview

Coordinates	4001519.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H102 P4 Pt2
Calculated formula	C69 H102 P4 Pt2
SMILES	c1ccccc1[Pt](C#CC#Cc1ccc2c3ccc(cc3C(c2c1)(CCCCCC)CCCCCC)C#CC#C[Pt](c1ccccc1)([P](CC)(CC)CC)[P](CC)(CC)CC)([P](CC)(CC)CC)[P](CC)(CC)CC
Title of publication	Effect of Acetylenic Chain Length on the Tuning of Functional Properties in Fluorene-Bridged Polymetallaynes and Their Molecular Model Compounds
Authors of publication	Liu, Li; Wong, Wai-Yeung; Poon, Suk-Yue; Shi, Jian-Xin; Cheah, Kok-Wai; Lin, Zhenyang
Journal of publication	Chemistry of Materials
Year of publication	2006
Journal volume	18
Journal issue	5
Pages of publication	1369
a	16.3528 ± 0.0019 Å
b	8.9386 ± 0.001 Å
c	48.989 ± 0.006 Å
α	90°
β	98.216 ± 0.002°
γ	90°
Cell volume	7087.3 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1509
Residual factor for significantly intense reflections	0.0708
Weighted residual factors for significantly intense reflections	0.1467
Weighted residual factors for all reflections included in the refinement	0.1817
Goodness-of-fit parameter for all reflections included in the refinement	0.954
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001519.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001519.cif
47588	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4001519 via cif-deposit CGI script.	4001519.cif