Crystallography Open Database

Information card for entry 4347720

Preview

Coordinates	4347720.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H25 N Si2
Calculated formula	C22 H25 N Si2
SMILES	[nH]1c2ccc(C#C[Si](C)(C)C)cc2c2cc(C#C[Si](C)(C)C)ccc12
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	6.1804 ± 0.0002 Å
b	10.9724 ± 0.0004 Å
c	16.4113 ± 0.0005 Å
α	90°
β	90.271 ± 0.002°
γ	90°
Cell volume	1112.9 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1297
Weighted residual factors for all reflections included in the refinement	0.1313
Goodness-of-fit parameter for all reflections included in the refinement	1.16
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.	4347720.cif