Crystallography Open Database

Information card for entry 7017342

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Coordinates	7017342.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H39 B6 Cl6 N3 P
Calculated formula	C31 H39 B6 Cl6 N3 P
Title of publication	Substitution matters: isolating phosphorus diiminopyridine complexes.
Authors of publication	Martin, Caleb D.; Ragogna, Paul J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	44
Pages of publication	11976 - 11980
a	18.3065 ± 0.0006 Å
b	17.402 ± 0.0006 Å
c	25.0012 ± 0.0009 Å
α	90°
β	92.756 ± 0.001°
γ	90°
Cell volume	7955.4 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0802
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0788
Weighted residual factors for all reflections included in the refinement	0.0936
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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