Crystallography Open Database

Information card for entry 4518768

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Coordinates	4518768.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H58 Ca N4 Si
Calculated formula	C31 H58 Ca N4 Si
SMILES	[Ca]123([N](=C(C)C=C(N1CC[N]2(CC[N]3(C)C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)C[Si](C)(C)C
Title of publication	Organocalcium Complex-Catalyzed Selective Redistribution of ArSiH3 or Ar(alkyl)SiH2 to Ar3SiH or Ar2(alkyl)SiH
Authors of publication	Li, Tao; McCabe, Karl N.; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng
Journal of publication	ACS Catalysis
Year of publication	2021
Pages of publication	6348 - 6356
a	10.0487 ± 0.0002 Å
b	11.1824 ± 0.0002 Å
c	17.1691 ± 0.0003 Å
α	84.698 ± 0.001°
β	84.857 ± 0.001°
γ	76.81 ± 0.001°
Cell volume	1865.65 ± 0.06 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	169.97 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0375
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0991
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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