Crystallography Open Database

Information card for entry 4333477

Preview

Coordinates	4333477.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[LZn2Ca(OAc)2](CHCl3)0.5(H2O)0.75
Formula	C36.5 H38 Ca Cl1.5 N4 O14.75 Zn2
Calculated formula	C36.5 H36.5 Ca Cl1.5 N4 O14.75 Zn2
Title of publication	Oligometallic Template Strategy for Ring-Closing Olefin Metathesis: Highly Cis- and Trans-Selective Synthesis of a 32-Membered Macrocyclic Tetraoxime
Authors of publication	Akine, Shigehisa; Kagiyama, Satoko; Nabeshima, Tatsuya
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Journal issue	23
Pages of publication	9525 - 9527
a	13.791 ± 0.003 Å
b	15.788 ± 0.004 Å
c	20.439 ± 0.004 Å
α	84.018 ± 0.01°
β	81.632 ± 0.01°
γ	73.877 ± 0.011°
Cell volume	4220.1 ± 1.7 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0981
Residual factor for significantly intense reflections	0.0632
Weighted residual factors for significantly intense reflections	0.1567
Weighted residual factors for all reflections included in the refinement	0.1809
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4333477.cif
99040	2014-01-30	cif/ Adding structures of 4333476, 4333477, 4333478 via cif-deposit CGI script.	4333477.cif