Crystallography Open Database

Information card for entry 7119236

7119235 << 7119236 >> 7119237

Preview

Coordinates	7119236.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H32 Br N3 O6 Re
Calculated formula	C41 H32 Br N3 O6 Re
SMILES	[Re]12([n]3c4c(cccc4)c4ccccc4c3C[N]1(Cc1[n]2c2ccccc2c2ccccc12)Cc1ccc(cc1)C(=O)OC)(C#[O])(C#[O])C#[O].[Br-].OC
Title of publication	Asymmetric rhenium tricarbonyl complexes show superior luminescence properties in live cell imaging.
Authors of publication	Raszeja, Lukasz J.; Siegmund, Daniel; Cordes, Anna L.; Güldenhaupt, Jörn; Gerwert, Klaus; Hahn, Stephan; Metzler-Nolte, Nils
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	5
Pages of publication	905 - 908
a	19.79 ± 0.04 Å
b	14.87 ± 0.03 Å
c	25.04 ± 0.04 Å
α	90°
β	100.33 ± 0.03°
γ	90°
Cell volume	7249 ± 2 Å³
Cell temperature	446 ± 2 K
Ambient diffraction temperature	446 ± 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	0.0476
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0898
Weighted residual factors for all reflections included in the refinement	0.0939
Goodness-of-fit parameter for all reflections included in the refinement	1.125
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
191484 (current)	2017-02-04	cif/ Updating files of 7119236, 7119237, 7119238 Original log message: Adding full bibliography for 7119236--7119238.cif.	7119236.cif
189740	2017-01-01	cif/ Adding structures of 7119236, 7119237, 7119238 via cif-deposit CGI script.	7119236.cif