Crystallography Open Database

Information card for entry 7714688

Preview

Coordinates	7714688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H24 Br Mn N4 O4
Calculated formula	C27 H24 Br Mn N4 O4
SMILES	Br[Mn]1([n]2c3nc(c4nc(ccc4)C)ccc3ccc2c2[n]1c(ccc2)C)(C#[O])(C#[O])C#[O].O1CCCC1
Title of publication	A one-pot reduction route to bimetallic manganese 1,8-naphthyridine complexes.
Authors of publication	Stevens, Michael A.; Lim, Li Feng; Pham, Le Nhan; Cox, Nicholas; Coote, Michelle L.; Colebatch, Annie L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	3
Pages of publication	1284 - 1294
a	9.0809 ± 0.0007 Å
b	11.6416 ± 0.0008 Å
c	12.6776 ± 0.0011 Å
α	78.587 ± 0.007°
β	84.102 ± 0.007°
γ	81.662 ± 0.006°
Cell volume	1296.04 ± 0.18 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1122
Residual factor for significantly intense reflections	0.0683
Weighted residual factors for significantly intense reflections	0.1744
Weighted residual factors for all reflections included in the refinement	0.2031
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
289558 (current)	2024-02-04	cif/ Updating files of 7714688, 7714689, 7714690 Original log message: Adding full bibliography for 7714688--7714690.cif.	7714688.cif
288285	2023-12-14	cif/ Adding structures of 7714688, 7714689, 7714690 via cif-deposit CGI script.	7714688.cif