Crystallography Open Database

Information card for entry 1570996

Preview

Coordinates	1570996.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H31 F3 Mn N5 O6.25 S
Calculated formula	C29 H31 F3 Mn N5 O6.25 S
Title of publication	Discovery of antibacterial manganese(i) tricarbonyl complexes through combinatorial chemistry.
Authors of publication	Scaccaglia, Mirco; Birbaumer, Michael P.; Pinelli, Silvana; Pelosi, Giorgio; Frei, Angelo
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	11
Pages of publication	3907 - 3919
a	19.4782 ± 0.0009 Å
b	20.4781 ± 0.0008 Å
c	16.3369 ± 0.0007 Å
α	90°
β	90.749 ± 0.002°
γ	90°
Cell volume	6515.8 ± 0.5 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.113
Weighted residual factors for all reflections included in the refinement	0.118
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
290858 (current)	2024-04-05	cif/ Updating files of 1570994, 1570995, 1570996 Original log message: Adding full bibliography for 1570994--1570996.cif.	1570996.cif
289806	2024-02-14	cif/ Adding structures of 1570994, 1570995, 1570996 via cif-deposit CGI script.	1570996.cif