Crystallography Open Database

Information card for entry 7717039

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Coordinates	7717039.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	TT-274
Formula	C30 H56 B2 Cl6 N6 O2 P2
Calculated formula	C30 H56 B2 Cl6 N6 O2 P2
Title of publication	Synthesis of P-bridged, planar bis(NHC) BCl<sub>3</sub> adducts.
Authors of publication	Terschüren, Tatjana; Schnakenburg, Gregor; Streubel, Rainer
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	39
Pages of publication	16377 - 16383
a	9.9165 ± 0.0004 Å
b	10.307 ± 0.0004 Å
c	11.5166 ± 0.0005 Å
α	115.644 ± 0.001°
β	92.465 ± 0.002°
γ	97.618 ± 0.002°
Cell volume	1045.14 ± 0.08 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0681
Residual factor for significantly intense reflections	0.0598
Weighted residual factors for significantly intense reflections	0.15
Weighted residual factors for all reflections included in the refinement	0.1584
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296547 (current)	2024-12-06	cif/ Updating files of 7717039 Original log message: Adding full bibliography for 7717039.cif.	7717039.cif
294808	2024-09-20	cif/ Adding structures of 7717039 via cif-deposit CGI script.	7717039.cif