Crystallography Open Database

Information card for entry 4071576

Preview

Coordinates	4071576.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H19 F2 I N2 Pt
Calculated formula	C16 H19 F2 I N2 Pt
SMILES	[Pt]1(I)([NH2][C@@H](c2c1cc(F)cc2)C)[NH2][C@@H](c1ccc(F)cc1)C
Title of publication	Orthoplatination of Primary Amines
Authors of publication	Calmuschi-Cula, Beatrice; Englert, Ulli
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	13
Pages of publication	3124
a	4.5846 ± 0.0013 Å
b	11.894 ± 0.003 Å
c	30.144 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	1643.7 ± 0.8 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0572
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.075
Weighted residual factors for all reflections included in the refinement	0.0766
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
178604 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/15.	4071576.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071576.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071576.cif
43922	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071573, 4071574, 4071575, 4071576, 4071577, 4071578, 4071579, 4071580 via cif-deposit CGI script.	4071576.cif