Crystallography Open Database

Information card for entry 7039369

Preview

Coordinates	7039369.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H44 N2 O3 Pt
Calculated formula	C44 H44 N2 O3 Pt
Title of publication	Chromophore-labelled, luminescent platinum complexes: syntheses, structures, and spectroscopic properties.
Authors of publication	Stacey, Oliver J.; Ward, Benjamin D.; Coles, Simon J.; Horton, Peter N.; Pope, Simon J. A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	25
Pages of publication	10297 - 10307
a	17.5181 ± 0.0011 Å
b	14.2716 ± 0.001 Å
c	16.0586 ± 0.0011 Å
α	90°
β	117.144 ± 0.001°
γ	90°
Cell volume	3572.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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 all reflections	0.0264
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0592
Weighted residual factors for all reflections included in the refinement	0.0611
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
185369 (current)	2016-08-07	cif/ Updating files of 7039369, 7039370 Original log message: Adding full bibliography for 7039369--7039370.cif.	7039369.cif
183199	2016-06-01	cif/ Adding structures of 7039369, 7039370 via cif-deposit CGI script.	7039369.cif