Crystallography Open Database

Information card for entry 4123299

Preview

Coordinates	4123299.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	deb_2_145
Formula	C60.5 H83 F12 K Mo N O6.25
Calculated formula	C60.442 H82.884 F12 K Mo N O6.279
Title of publication	Highly Selective Molybdenum ONO Pincer Complex Initiates the Living Ring-Opening Metathesis Polymerization of Strained Alkynes with Exceptionally Low Polydispersity Indices.
Authors of publication	Bellone, Donatela E.; Bours, Justin; Menke, Elisabeth H.; Fischer, Felix R.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	2
Pages of publication	850 - 856
a	12.751 ± 0.005 Å
b	29.14 ± 0.005 Å
c	17.008 ± 0.005 Å
α	90 ± 0.005°
β	93.406 ± 0.005°
γ	90 ± 0.005°
Cell volume	6308 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0512
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0818
Weighted residual factors for all reflections included in the refinement	0.0885
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 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.	4123299.cif
130631	2015-02-04	cif/ Updating files of 4123299, 4123300 Original log message: Adding full bibliography for 4123299--4123300.cif.	4123299.cif
129875	2015-01-17	cif/ Adding structures of 4123299, 4123300 via cif-deposit CGI script.	4123299.cif