Crystallography Open Database

Information card for entry 4130735

Preview

Coordinates	4130735.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2.48 H1.71 Cl0.05 O0.45 P0.05 Rh0.05 Zr0.08
Calculated formula	C2.45333 H1.70667 Cl0.0533333 O0.453333 P0.0533333 Rh0.0533333 Zr0.08
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	18.126 ± 0.014 Å
b	20.015 ± 0.015 Å
c	21.79 ± 0.016 Å
α	109.155 ± 0.009°
β	103.794 ± 0.009°
γ	99.7 ± 0.01°
Cell volume	6985 ± 9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 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	0.1636
Residual factor for significantly intense reflections	0.1189
Weighted residual factors for significantly intense reflections	0.3042
Weighted residual factors for all reflections included in the refinement	0.3358
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.41328 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
241115 (current)	2019-11-25	cif/ Adding structures of 4130735 via cif-deposit CGI script.	4130735.cif