Crystallography Open Database

Information card for entry 7247045

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Coordinates	7247045.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	TB037P.K
Formula	C16 H10 N O6 P W
Calculated formula	C16 H10 N O6 P W
Title of publication	Synthesis of a 1-aza-2-phospha-acenaphthene complex profiting from coordination enabled chloromethane elimination
Authors of publication	Biskup, David; Bergmann, Tom; Schnakenburg, Gregor; Gomila, Rosa M.; Frontera, Antonio; Streubel, Rainer
Journal of publication	RSC Advances
Year of publication	2023
Journal volume	13
Journal issue	31
Pages of publication	21313 - 21317
a	9.1981 ± 0.0005 Å
b	14.8394 ± 0.0012 Å
c	13.0755 ± 0.0008 Å
α	90°
β	102.642 ± 0.006°
γ	90°
Cell volume	1741.5 ± 0.2 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	I 1 2/m 1
Hall space group symbol	-I 2y
Residual factor for all reflections	0.0915
Residual factor for significantly intense reflections	0.0768
Weighted residual factors for significantly intense reflections	0.2047
Weighted residual factors for all reflections included in the refinement	0.2165
Goodness-of-fit parameter for all reflections included in the refinement	1.135
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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