Crystallography Open Database

Information card for entry 4119574

4119573 << 4119574 >> 4119575

Preview

Coordinates	4119574.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1
Formula	C37 H50 B2 O4 Zr
Calculated formula	C37 H50 B2 O4 Zr
Title of publication	The Marriage of Metallacycle Transfer Chemistry with Suzuki-Miyaura Cross-Coupling To Give Main Group Element-Containing Conjugated Polymers
Authors of publication	Gang He; Le Kang; William Torres Delgado; Olena Shynkaruk; Michael J. Ferguson; Robert McDonald; Eric Rivard
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	5360 - 5363
a	14.9281 ± 0.0005 Å
b	20.0984 ± 0.0006 Å
c	12.9528 ± 0.0004 Å
α	90°
β	115.431 ± 0.001°
γ	90°
Cell volume	3509.68 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0561
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.134
Weighted residual factors for all reflections included in the refinement	0.1379
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178966 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/95.	4119574.cif
103734	2014-03-06	cif/ Adding structures of 4119574 via cif-deposit CGI script.	4119574.cif