Crystallography Open Database

Information card for entry 4347721

Preview

Coordinates	4347721.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H25 N Si2
Calculated formula	C22 H25 N Si2
SMILES	c1c(ccc2c1[nH]c1cc(ccc21)C#C[Si](C)(C)C)C#C[Si](C)(C)C
Title of publication	Experimental and Theoretical Investigation for the Level of Conjugation in Carbazole-Based Precursors and Their Mono-, Di-, and Polynuclear Pt(II) Complexes.
Authors of publication	Al-Balushi, Rayya A; Haque, Ashanul; Jayapal, Maharaja; Al-Suti, Mohammed K; Husband, John; Khan, Muhammad S.; Koentjoro, Olivia F.; Molloy, Kieran C.; Skelton, Jonathan M.; Raithby, Paul R.
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	13
Pages of publication	6465 - 6480
a	6.3292 ± 0.0002 Å
b	7.7163 ± 0.0003 Å
c	43.8439 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	2141.25 ± 0.14 Å³
Cell temperature	150 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	4
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	0.0736
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.1514
Weighted residual factors for all reflections included in the refinement	0.1546
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
232467 (current)	2019-11-23	cif/ Adding structures of 4347720, 4347721, 4347722, 4347723 via cif-deposit CGI script.	4347721.cif