Crystallography Open Database

Information card for entry 7113912

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Coordinates	7113912.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H109.43 Cl6 N12 O5
Calculated formula	C66 H109.43 Cl6 N12 O5
Title of publication	A new entry to N-heterocyclic carbene chemistry: synthesis and characterisation of a triscarbene complex of thallium(I)
Authors of publication	Nakai, Hidetaka; Tang, Yongjun; Gantzel, Peter; Meyer, Karsten
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	1
Pages of publication	24 - 25
a	19.058 ± 0.0009 Å
b	17.9298 ± 0.0008 Å
c	23.6229 ± 0.0011 Å
α	90°
β	113.646 ± 0.001°
γ	90°
Cell volume	7394.4 ± 0.6 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0891
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1801
Weighted residual factors for all reflections included in the refinement	0.2019
Goodness-of-fit parameter for all reflections included in the refinement	0.949
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7103629
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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