Crystallography Open Database

Information card for entry 4075736

Preview

Coordinates	4075736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H42 Si3 Zr
Calculated formula	C26 H42 Si3 Zr
SMILES	[Zr]123456789%10%11([CH]([Si](C)(C)C)=[C]1=C2C([Si](C)(C)C)C(=C3[Si](C)(C)C)C)([cH]1[cH]4[cH]5[cH]6[cH]71)[cH]1[cH]%11[cH]%10[cH]9[cH]81
Title of publication	Synthesis and Structure of Seven-Membered Metallacyclic Alkynes
Authors of publication	Suzuki, Noriyuki; Aihara, Naoto; Iwasaki, Masakazu; Saburi, Masahiko; Chihara, Teiji
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	5
Pages of publication	791
a	11.041 ± 0.001 Å
b	19.729 ± 0.003 Å
c	25.44 ± 0.004 Å
α	90°
β	98.759 ± 0.006°
γ	90°
Cell volume	5476.9 ± 1.3 Å³
Cell temperature	108.2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for all reflections included in the refinement	0.1349
Goodness-of-fit parameter for all reflections included in the refinement	1.612
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4075736.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075736.cif
50642	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075736 via cif-deposit CGI script.	4075736.cif