Crystallography Open Database

Information card for entry 4130736

Preview

Coordinates	4130736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2.61 Ir0.07 O0.61 P0.07 Zr0.1
Calculated formula	C2.61017 Ir0.0550847 O0.610169 P0.0677966 Zr0.101695
Title of publication	Metal-Organic Frameworks Stabilize Mono(phosphine)-Metal Complexes for Broad-Scope Catalytic Reactions.
Authors of publication	Sawano, Takahiro; Lin, Zekai; Boures, Dean; An, Bing; Wang, Cheng; Lin, Wenbin
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	31
Pages of publication	9783 - 9786
a	19.783 ± 0.007 Å
b	21.51 ± 0.007 Å
c	23.023 ± 0.008 Å
α	117.806 ± 0.004°
β	111.824 ± 0.004°
γ	90.022 ± 0.005°
Cell volume	7862 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2091
Residual factor for significantly intense reflections	0.1346
Weighted residual factors for significantly intense reflections	0.3304
Weighted residual factors for all reflections included in the refinement	0.3683
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.41328 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
241116 (current)	2019-11-25	cif/ Adding structures of 4130736 via cif-deposit CGI script.	4130736.cif