Crystallography Open Database

Information card for entry 4111109

Preview

Structure parameters

Common name	DIPP-nacnacCaOH
Formula	C66 H100 Ca2 N4 O4
Calculated formula	C66 H100 Ca2 N4 O4
Title of publication	A Well-Defined Hydrocarbon-Soluble Calcium Hydroxide: Synthesis, Structure, and Reactivity
Authors of publication	Christian Ruspic; Sharanappa Nembenna; Anja Hofmeister; Jörg Magull; Sjoerd Harder; Herbert W. Roesky
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	15000 - 15004
a	48.19 ± 0.005 Å
b	12.5951 ± 0.0013 Å
c	22.291 ± 0.002 Å
α	90°
β	102.85 ± 0.006°
γ	90°
Cell volume	13191 ± 2 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	5
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	0.0855
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for significantly intense reflections	0.1319
Weighted residual factors for all reflections included in the refinement	0.152
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4111109.html