Crystallography Open Database

Information card for entry 4313604

Preview

Coordinates	4313604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47.5 H51 N O6.5 P
Calculated formula	C47.5 H45 N O6.5 P
Title of publication	Influence of Hydrogen Bonding in Competition with Lattice Interactions on Carbonyl Coordination at Phosphorus. Implications for Phosphoryl Transfer Activated States1
Authors of publication	A. Chandrasekaran; Natalya V. Timosheva; Roberta O. Day; Robert R. Holmes
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	3285 - 3292
a	22.6658 ± 0.0008 Å
b	16.5115 ± 0.0004 Å
c	12.2915 ± 0.0003 Å
α	90°
β	104.874 ± 0.001°
γ	90°
Cell volume	4445.9 ± 0.2 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	0.1772
Residual factor for significantly intense reflections	0.0927
Weighted residual factors for significantly intense reflections	0.2191
Weighted residual factors for all reflections included in the refinement	0.2637
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4313604.html