Crystallography Open Database

Information card for entry 4087185

Preview

Coordinates	4087185.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H46 N6 P2 Pt
Calculated formula	C30 H46 N6 P2 Pt
SMILES	[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)(c1n(nnc1)Cc1ccccc1)c1n(nnc1)Cc1ccccc1
Title of publication	Single versus Double Cu(I) Catalyzed [3 + 2] Azide/Platinum Diacetylide Cycloaddition Reactions
Authors of publication	Yang, Xi; VenkatRamani, Sudarsan; Beto, Christopher C.; Del Castillo, Trevor J.; Ghiviriga, Ion; Abboud, Khalil A.; Veige, Adam S.
Journal of publication	Organometallics
Year of publication	2017
Journal volume	36
Journal issue	7
Pages of publication	1352
a	10.5063 ± 0.0007 Å
b	30.1519 ± 0.0019 Å
c	11.0875 ± 0.0007 Å
α	90°
β	114.522 ± 0.001°
γ	90°
Cell volume	3195.5 ± 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	0.0267
Residual factor for significantly intense reflections	0.0227
Weighted residual factors for significantly intense reflections	0.0407
Weighted residual factors for all reflections included in the refinement	0.0415
Goodness-of-fit parameter for all reflections included in the refinement	1.223
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
196167 (current)	2017-05-05	cif/ Updating files of 4087185, 4087186 Original log message: Adding full bibliography for 4087185--4087186.cif.	4087185.cif
194365	2017-03-21	cif/ Adding structures of 4087185, 4087186 via cif-deposit CGI script.	4087185.cif