Crystallography Open Database

Information card for entry 1570790

Preview

Coordinates	1570790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 H198 Mn4 N8 O9 P8
Calculated formula	C136 H198 Mn4 N8 O9 P8
Title of publication	Manganese-catalyzed base-free addition of saturated nitriles to unsaturated nitriles by template catalysis.
Authors of publication	Thiyagarajan, Subramanian; Diskin-Posner, Yael; Montag, Michael; Milstein, David
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	7
Pages of publication	2571 - 2577
a	10.4236 ± 0.0003 Å
b	17.9728 ± 0.0005 Å
c	17.9093 ± 0.0005 Å
α	90°
β	90.648 ± 0.002°
γ	90°
Cell volume	3354.94 ± 0.16 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	6
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	0.0585
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.0999
Weighted residual factors for all reflections included in the refinement	0.1057
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation probe	x-ray
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
290126 (current)	2024-03-04	cif/ Updating files of 1570790, 1570791 Original log message: Adding full bibliography for 1570790--1570791.cif.	1570790.cif
289102	2024-01-17	cif/ Adding structures of 1570790, 1570791 via cif-deposit CGI script.	1570790.cif