Crystallography Open Database

Information card for entry 7119243

7119242 << 7119243 >> 7119244

Preview

Coordinates	7119243.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H52 N4 Tl2
Calculated formula	C36 H52 N4 Tl2
Title of publication	Dinuclear indium and thallium diyls: biscarbenoids or metal cluster?
Authors of publication	Desat, Marcella E.; Gärtner, Stefanie; Kretschmer, Robert
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	9
Pages of publication	1510 - 1513
a	11.1313 ± 0.0003 Å
b	12.0117 ± 0.0003 Å
c	14.7648 ± 0.0004 Å
α	66.579 ± 0.003°
β	78.59 ± 0.003°
γ	80.819 ± 0.002°
Cell volume	1768.49 ± 0.09 Å³
Cell temperature	123.3 ± 0.6 K
Ambient diffraction temperature	123.3 ± 0.6 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0314
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0645
Weighted residual factors for all reflections included in the refinement	0.0672
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
191497 (current)	2017-02-04	cif/ Updating files of 7119243, 7119244 Original log message: Adding full bibliography for 7119243--7119244.cif.	7119243.cif
189742	2017-01-01	cif/ Adding structures of 7119243, 7119244 via cif-deposit CGI script.	7119243.cif