Crystallography Open Database

Information card for entry 1552314

Preview

Coordinates	1552314.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,1,3,3-Tetramethyldisila-2-oxa[3]nickelocenophane
Formula	C14 H20 Ni O Si2
Calculated formula	C14 H20 Ni O Si2
SMILES	[Ni]123456789[c]%10([cH]4[cH]3[cH]2[cH]1%10)[Si](O[Si]([c]15[cH]6[cH]7[cH]8[cH]91)(C)C)(C)C
Title of publication	Role of torsional strain in the ring-opening polymerisation of low strain [n]nickelocenophanes
Authors of publication	Musgrave, Rebecca A.; Hailes, Rebekah L. N.; Annibale, Vincent T.; Manners, Ian
Journal of publication	Chemical Science
Year of publication	2019
a	8.3913 ± 0.0002 Å
b	11.3601 ± 0.0003 Å
c	15.8756 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1513.36 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0258
Residual factor for significantly intense reflections	0.0227
Weighted residual factors for significantly intense reflections	0.0507
Weighted residual factors for all reflections included in the refinement	0.0519
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
218143 (current)	2019-09-11	cif/ Adding structures of 1552312, 1552313, 1552314, 1552315 via cif-deposit CGI script.	1552314.cif