Crystallography Open Database

Information card for entry 4071580

Preview

Coordinates	4071580.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H16 F I N2 Pt
Calculated formula	C14 H16 F I N2 Pt
SMILES	[Pt]1(I)([NH2][C@@H](C)c2ccc(F)cc12)[n]1ccc(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	19.091 ± 0.003 Å
b	19.091 ± 0.003 Å
c	16.95 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6177.7 ± 1.8 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	80
Hermann-Mauguin space group symbol	I 41
Hall space group symbol	I 4bw
Residual factor for all reflections	0.0367
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0751
Weighted residual factors for all reflections included in the refinement	0.0782
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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.	4071580.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071580.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071580.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.	4071580.cif