Crystallography Open Database

Information card for entry 2205843

2205842 << 2205843 >> 2205844

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Structure parameters

Chemical name	tetrakis(trimethylsilyl) isocyanatomethylenebisphosphonate
Formula	C14 H37 N O7 P2 Si4
Calculated formula	C14 H37 N O7 P2 Si4
Title of publication	Tetrakis(trimethylsilyl) isocyanatomethylenebisphosphonate
Authors of publication	Petrov, Petar Y.; McDonald, Robert; Lukowski, Robert D.; Cavell, Ronald G.; Angelov, Christo M.
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	6
Pages of publication	o1549 - o1551
a	10.2012 ± 0.0006 Å
b	26.7355 ± 0.0015 Å
c	11.0576 ± 0.0006 Å
α	90°
β	107.65 ± 0.0009°
γ	90°
Cell volume	2873.8 ± 0.3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
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	0.0417
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0969
Weighted residual factors for all reflections included in the refinement	0.1023
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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