Crystallography Open Database

Information card for entry 7053396

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Coordinates	7053396.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H19 Br0.79 Cl3.21 P
Calculated formula	C20 H19 Br0.78755 Cl3.21243 P
Title of publication	Melem- and melamine-derived iminophosphoranes
Authors of publication	Saplinova, Tatyana; Lehnert, Christian; Böhme, Uwe; Wagler, Jörg; Kroke, Edwin
Journal of publication	New Journal of Chemistry
Year of publication	2010
Journal volume	34
Journal issue	9
Pages of publication	1893
a	16.2023 ± 0.0004 Å
b	16.2023 ± 0.0004 Å
c	16.2023 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4253.34 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0652
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0544
Weighted residual factors for all reflections included in the refinement	0.0637
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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