Crystallography Open Database

Information card for entry 4070312

Preview

Coordinates	4070312.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H36 I4 N Pd1.5
Calculated formula	C16 H36 I4 N Pd1.5
Title of publication	Palladium-Catalyzed Diacetoxylation of Methylenecyclopropanes via C(sp3)−C(sp3) Bond Breaking
Authors of publication	Jiang, Min; Shi, Min
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	19
Pages of publication	5600
a	11.6372 ± 0.0009 Å
b	11.7555 ± 0.0009 Å
c	20.2311 ± 0.0014 Å
α	90°
β	106.217 ± 0.002°
γ	90°
Cell volume	2657.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1716
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.0749
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	0.825
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
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.	4070312.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4070312.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070312.cif
40684	2012-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4070312 via cif-deposit CGI script.	4070312.cif