Crystallography Open Database

Information card for entry 7119784

7119783 << 7119784 >> 7119785

Preview

Coordinates	7119784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H23 Cl2 N8 O9.5 Ru2
Calculated formula	C23 H23 Cl2 N8 O9.5 Ru2
Title of publication	Efficient conversion of alkenes to chlorohydrins by a Ru-based artificial enzyme.
Authors of publication	Lopez, Sarah; Rondot, Laurianne; Cavazza, Christine; Iannello, Marina; Boeri-Erba, Elisabetta; Burzlaff, Nicolai; Strinitz, Frank; Jorge-Robin, Adeline; Marchi-Delapierre, Caroline; Ménage, Stéphane
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	25
Pages of publication	3579 - 3582
a	16.3947 ± 0.0016 Å
b	14.8749 ± 0.001 Å
c	26.532 ± 0.004 Å
α	90°
β	92.863 ± 0.013°
γ	90°
Cell volume	6462.3 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.104
Residual factor for significantly intense reflections	0.0786
Weighted residual factors for significantly intense reflections	0.2055
Weighted residual factors for all reflections included in the refinement	0.2252
Goodness-of-fit parameter for all reflections included in the refinement	1.361
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
194973 (current)	2017-04-05	cif/ Updating files of 7119784 Original log message: Adding full bibliography for 7119784.cif.	7119784.cif
194137	2017-03-10	cif/ Adding structures of 7119784 via cif-deposit CGI script.	7119784.cif